AG002TPK

265652-39-9 | 2-Thiophenecarboxylic acid, 4-bromo-3-methyl-

AG002TPK

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CAS Number	265652-39-9
Catalog Number	AG002TPK(AGN-PC-0KKLI1)
Chemical Name	2-Thiophenecarboxylic acid, 4-bromo-3-methyl-
IUPAC Name	4-bromo-3-methylthiophene-2-carboxylic acid
InChI	InChI=1S/C6H5BrO2S/c1-3-4(7)2-10-5(3)6(8)9/h2H,1H3,(H,8,9)
InChI Key	TUVDPNVBUMLEHW-UHFFFAOYSA-N
MDL Number	MFCD03789231
Molecular Formula	C6H5BrO2S
Molecular Weight	221.0717
SMILES	BrC=1C(=C(SC1)C(=O)O)C
Synonyms	4-Bromo-3-methylthiophenecarboxylic acid, 265652-39-9, 4-bromo-3-methylthiophene-2-carboxylic acid, 4-bromo-3-methyl-2-thiophenecarboxylic acid, 4-bromo-3-methyl-thiophene-2-carboxylic Acid, 2-Thiophenecarboxylic acid, 4-bromo-3-methyl-, PubChem5272, AC1MBV0T, SCHEMBL321098, CTK7J1461, KS-00002WZV, DTXSID20373723, TUVDPNVBUMLEHW-UHFFFAOYSA-N, ZINC2511148, MFCD03789231, AKOS015898832, FS-1605, QC-6001, BC002920, 4-bromo-3-mehylthiophene-2-carboxylic acid, DB-008380, RT-020274, FT-0746545, 4-bromanyl-3-methyl-thiophene-2-carboxylic acid, A818512, I09-2020, J-016477, 4-bromo-3-methylthiophenecarboxylic acid, AldrichCPR, 2-Bromo-4-methyl-nicotinic acid, CID2757073,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.919g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	221.068g/mol
Monoisotopic Mass	219.919g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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